data_27020 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27020 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Human BetaB2-crystallin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-01 _Entry.Accession_date 2017-02-01 _Entry.Last_release_date 2017-02-01 _Entry.Original_release_date 2017-02-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Zhaoyong Xi . . . . 27020 2 Matthew Whitley . J. . . 27020 3 Angela Gronenborn . M. . . 27020 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27020 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 27020 '15N chemical shifts' 162 27020 '1H chemical shifts' 162 27020 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-03-31 . original BMRB . 27020 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 27020 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2017.02.001 _Citation.PubMed_ID 28238532 _Citation.Full_citation . _Citation.Title ; Human betaB2-Crystallin Forms a Face-en-Face Dimer in Solution: An Integrated NMR and SAXS Study ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 25 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 496 _Citation.Page_last 505 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zhaoyong Xi . . . . 27020 1 2 Matthew Whitley . J. . . 27020 1 3 Angela Gronenborn . M. . . 27020 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27020 _Assembly.ID 1 _Assembly.Name 'human betaB2-crystallin dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human betaB2-crystallin, chain 1' 1 $human_betaB2-crystallin A . yes native no no . . . 27020 1 2 'human betaB2-crystallin, chain 2' 1 $human_betaB2-crystallin B . yes native no no . . . 27020 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_betaB2-crystallin _Entity.Sf_category entity _Entity.Sf_framecode human_betaB2-crystallin _Entity.Entry_ID 27020 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_betaB2-crystallin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASDHQTQAGKPQSLNPKIII FEQENFQGHSHELNGPCPNL KETGVEKAGSVLVQAGPWVG YEQANCKGEQFVFEKGEYPR WDSWTSSRRTDSLSSLRPIK VDSQEHKIILYENPNFTGKK MEIIDDDVPSFHAHGYQEKV SSVRVQSGTWVGYQYPGYRG LQYLLEKGDYKDSSDFGAPH PQVQSVRRIRDMQWHQRGAF HPSN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 204 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 27020 1 2 . SER . 27020 1 3 . ASP . 27020 1 4 . HIS . 27020 1 5 . GLN . 27020 1 6 . THR . 27020 1 7 . GLN . 27020 1 8 . ALA . 27020 1 9 . GLY . 27020 1 10 . LYS . 27020 1 11 . PRO . 27020 1 12 . GLN . 27020 1 13 . SER . 27020 1 14 . LEU . 27020 1 15 . ASN . 27020 1 16 . PRO . 27020 1 17 . LYS . 27020 1 18 . ILE . 27020 1 19 . ILE . 27020 1 20 . ILE . 27020 1 21 . PHE . 27020 1 22 . GLU . 27020 1 23 . GLN . 27020 1 24 . GLU . 27020 1 25 . ASN . 27020 1 26 . PHE . 27020 1 27 . GLN . 27020 1 28 . GLY . 27020 1 29 . HIS . 27020 1 30 . SER . 27020 1 31 . HIS . 27020 1 32 . GLU . 27020 1 33 . LEU . 27020 1 34 . ASN . 27020 1 35 . GLY . 27020 1 36 . PRO . 27020 1 37 . CYS . 27020 1 38 . PRO . 27020 1 39 . ASN . 27020 1 40 . LEU . 27020 1 41 . LYS . 27020 1 42 . GLU . 27020 1 43 . THR . 27020 1 44 . GLY . 27020 1 45 . VAL . 27020 1 46 . GLU . 27020 1 47 . LYS . 27020 1 48 . ALA . 27020 1 49 . GLY . 27020 1 50 . SER . 27020 1 51 . VAL . 27020 1 52 . LEU . 27020 1 53 . VAL . 27020 1 54 . GLN . 27020 1 55 . ALA . 27020 1 56 . GLY . 27020 1 57 . PRO . 27020 1 58 . TRP . 27020 1 59 . VAL . 27020 1 60 . GLY . 27020 1 61 . TYR . 27020 1 62 . GLU . 27020 1 63 . GLN . 27020 1 64 . ALA . 27020 1 65 . ASN . 27020 1 66 . CYS . 27020 1 67 . LYS . 27020 1 68 . GLY . 27020 1 69 . GLU . 27020 1 70 . GLN . 27020 1 71 . PHE . 27020 1 72 . VAL . 27020 1 73 . PHE . 27020 1 74 . GLU . 27020 1 75 . LYS . 27020 1 76 . GLY . 27020 1 77 . GLU . 27020 1 78 . TYR . 27020 1 79 . PRO . 27020 1 80 . ARG . 27020 1 81 . TRP . 27020 1 82 . ASP . 27020 1 83 . SER . 27020 1 84 . TRP . 27020 1 85 . THR . 27020 1 86 . SER . 27020 1 87 . SER . 27020 1 88 . ARG . 27020 1 89 . ARG . 27020 1 90 . THR . 27020 1 91 . ASP . 27020 1 92 . SER . 27020 1 93 . LEU . 27020 1 94 . SER . 27020 1 95 . SER . 27020 1 96 . LEU . 27020 1 97 . ARG . 27020 1 98 . PRO . 27020 1 99 . ILE . 27020 1 100 . LYS . 27020 1 101 . VAL . 27020 1 102 . ASP . 27020 1 103 . SER . 27020 1 104 . GLN . 27020 1 105 . GLU . 27020 1 106 . HIS . 27020 1 107 . LYS . 27020 1 108 . ILE . 27020 1 109 . ILE . 27020 1 110 . LEU . 27020 1 111 . TYR . 27020 1 112 . GLU . 27020 1 113 . ASN . 27020 1 114 . PRO . 27020 1 115 . ASN . 27020 1 116 . PHE . 27020 1 117 . THR . 27020 1 118 . GLY . 27020 1 119 . LYS . 27020 1 120 . LYS . 27020 1 121 . MET . 27020 1 122 . GLU . 27020 1 123 . ILE . 27020 1 124 . ILE . 27020 1 125 . ASP . 27020 1 126 . ASP . 27020 1 127 . ASP . 27020 1 128 . VAL . 27020 1 129 . PRO . 27020 1 130 . SER . 27020 1 131 . PHE . 27020 1 132 . HIS . 27020 1 133 . ALA . 27020 1 134 . HIS . 27020 1 135 . GLY . 27020 1 136 . TYR . 27020 1 137 . GLN . 27020 1 138 . GLU . 27020 1 139 . LYS . 27020 1 140 . VAL . 27020 1 141 . SER . 27020 1 142 . SER . 27020 1 143 . VAL . 27020 1 144 . ARG . 27020 1 145 . VAL . 27020 1 146 . GLN . 27020 1 147 . SER . 27020 1 148 . GLY . 27020 1 149 . THR . 27020 1 150 . TRP . 27020 1 151 . VAL . 27020 1 152 . GLY . 27020 1 153 . TYR . 27020 1 154 . GLN . 27020 1 155 . TYR . 27020 1 156 . PRO . 27020 1 157 . GLY . 27020 1 158 . TYR . 27020 1 159 . ARG . 27020 1 160 . GLY . 27020 1 161 . LEU . 27020 1 162 . GLN . 27020 1 163 . TYR . 27020 1 164 . LEU . 27020 1 165 . LEU . 27020 1 166 . GLU . 27020 1 167 . LYS . 27020 1 168 . GLY . 27020 1 169 . ASP . 27020 1 170 . TYR . 27020 1 171 . LYS . 27020 1 172 . ASP . 27020 1 173 . SER . 27020 1 174 . SER . 27020 1 175 . ASP . 27020 1 176 . PHE . 27020 1 177 . GLY . 27020 1 178 . ALA . 27020 1 179 . PRO . 27020 1 180 . HIS . 27020 1 181 . PRO . 27020 1 182 . GLN . 27020 1 183 . VAL . 27020 1 184 . GLN . 27020 1 185 . SER . 27020 1 186 . VAL . 27020 1 187 . ARG . 27020 1 188 . ARG . 27020 1 189 . ILE . 27020 1 190 . ARG . 27020 1 191 . ASP . 27020 1 192 . MET . 27020 1 193 . GLN . 27020 1 194 . TRP . 27020 1 195 . HIS . 27020 1 196 . GLN . 27020 1 197 . ARG . 27020 1 198 . GLY . 27020 1 199 . ALA . 27020 1 200 . PHE . 27020 1 201 . HIS . 27020 1 202 . PRO . 27020 1 203 . SER . 27020 1 204 . ASN . 27020 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 27020 1 . SER 2 2 27020 1 . ASP 3 3 27020 1 . HIS 4 4 27020 1 . GLN 5 5 27020 1 . THR 6 6 27020 1 . GLN 7 7 27020 1 . ALA 8 8 27020 1 . GLY 9 9 27020 1 . LYS 10 10 27020 1 . PRO 11 11 27020 1 . GLN 12 12 27020 1 . SER 13 13 27020 1 . LEU 14 14 27020 1 . ASN 15 15 27020 1 . PRO 16 16 27020 1 . LYS 17 17 27020 1 . ILE 18 18 27020 1 . ILE 19 19 27020 1 . ILE 20 20 27020 1 . PHE 21 21 27020 1 . GLU 22 22 27020 1 . GLN 23 23 27020 1 . GLU 24 24 27020 1 . ASN 25 25 27020 1 . PHE 26 26 27020 1 . GLN 27 27 27020 1 . GLY 28 28 27020 1 . HIS 29 29 27020 1 . SER 30 30 27020 1 . HIS 31 31 27020 1 . GLU 32 32 27020 1 . LEU 33 33 27020 1 . ASN 34 34 27020 1 . GLY 35 35 27020 1 . PRO 36 36 27020 1 . CYS 37 37 27020 1 . PRO 38 38 27020 1 . ASN 39 39 27020 1 . LEU 40 40 27020 1 . LYS 41 41 27020 1 . GLU 42 42 27020 1 . THR 43 43 27020 1 . GLY 44 44 27020 1 . VAL 45 45 27020 1 . GLU 46 46 27020 1 . LYS 47 47 27020 1 . ALA 48 48 27020 1 . GLY 49 49 27020 1 . SER 50 50 27020 1 . VAL 51 51 27020 1 . LEU 52 52 27020 1 . VAL 53 53 27020 1 . GLN 54 54 27020 1 . ALA 55 55 27020 1 . GLY 56 56 27020 1 . PRO 57 57 27020 1 . TRP 58 58 27020 1 . VAL 59 59 27020 1 . GLY 60 60 27020 1 . TYR 61 61 27020 1 . GLU 62 62 27020 1 . GLN 63 63 27020 1 . ALA 64 64 27020 1 . ASN 65 65 27020 1 . CYS 66 66 27020 1 . LYS 67 67 27020 1 . GLY 68 68 27020 1 . GLU 69 69 27020 1 . GLN 70 70 27020 1 . PHE 71 71 27020 1 . VAL 72 72 27020 1 . PHE 73 73 27020 1 . GLU 74 74 27020 1 . LYS 75 75 27020 1 . GLY 76 76 27020 1 . GLU 77 77 27020 1 . TYR 78 78 27020 1 . PRO 79 79 27020 1 . ARG 80 80 27020 1 . TRP 81 81 27020 1 . ASP 82 82 27020 1 . SER 83 83 27020 1 . TRP 84 84 27020 1 . THR 85 85 27020 1 . SER 86 86 27020 1 . SER 87 87 27020 1 . ARG 88 88 27020 1 . ARG 89 89 27020 1 . THR 90 90 27020 1 . ASP 91 91 27020 1 . SER 92 92 27020 1 . LEU 93 93 27020 1 . SER 94 94 27020 1 . SER 95 95 27020 1 . LEU 96 96 27020 1 . ARG 97 97 27020 1 . PRO 98 98 27020 1 . ILE 99 99 27020 1 . LYS 100 100 27020 1 . VAL 101 101 27020 1 . ASP 102 102 27020 1 . SER 103 103 27020 1 . GLN 104 104 27020 1 . GLU 105 105 27020 1 . HIS 106 106 27020 1 . LYS 107 107 27020 1 . ILE 108 108 27020 1 . ILE 109 109 27020 1 . LEU 110 110 27020 1 . TYR 111 111 27020 1 . GLU 112 112 27020 1 . ASN 113 113 27020 1 . PRO 114 114 27020 1 . ASN 115 115 27020 1 . PHE 116 116 27020 1 . THR 117 117 27020 1 . GLY 118 118 27020 1 . LYS 119 119 27020 1 . LYS 120 120 27020 1 . MET 121 121 27020 1 . GLU 122 122 27020 1 . ILE 123 123 27020 1 . ILE 124 124 27020 1 . ASP 125 125 27020 1 . ASP 126 126 27020 1 . ASP 127 127 27020 1 . VAL 128 128 27020 1 . PRO 129 129 27020 1 . SER 130 130 27020 1 . PHE 131 131 27020 1 . HIS 132 132 27020 1 . ALA 133 133 27020 1 . HIS 134 134 27020 1 . GLY 135 135 27020 1 . TYR 136 136 27020 1 . GLN 137 137 27020 1 . GLU 138 138 27020 1 . LYS 139 139 27020 1 . VAL 140 140 27020 1 . SER 141 141 27020 1 . SER 142 142 27020 1 . VAL 143 143 27020 1 . ARG 144 144 27020 1 . VAL 145 145 27020 1 . GLN 146 146 27020 1 . SER 147 147 27020 1 . GLY 148 148 27020 1 . THR 149 149 27020 1 . TRP 150 150 27020 1 . VAL 151 151 27020 1 . GLY 152 152 27020 1 . TYR 153 153 27020 1 . GLN 154 154 27020 1 . TYR 155 155 27020 1 . PRO 156 156 27020 1 . GLY 157 157 27020 1 . TYR 158 158 27020 1 . ARG 159 159 27020 1 . GLY 160 160 27020 1 . LEU 161 161 27020 1 . GLN 162 162 27020 1 . TYR 163 163 27020 1 . LEU 164 164 27020 1 . LEU 165 165 27020 1 . GLU 166 166 27020 1 . LYS 167 167 27020 1 . GLY 168 168 27020 1 . ASP 169 169 27020 1 . TYR 170 170 27020 1 . LYS 171 171 27020 1 . ASP 172 172 27020 1 . SER 173 173 27020 1 . SER 174 174 27020 1 . ASP 175 175 27020 1 . PHE 176 176 27020 1 . GLY 177 177 27020 1 . ALA 178 178 27020 1 . PRO 179 179 27020 1 . HIS 180 180 27020 1 . PRO 181 181 27020 1 . GLN 182 182 27020 1 . VAL 183 183 27020 1 . GLN 184 184 27020 1 . SER 185 185 27020 1 . VAL 186 186 27020 1 . ARG 187 187 27020 1 . ARG 188 188 27020 1 . ILE 189 189 27020 1 . ARG 190 190 27020 1 . ASP 191 191 27020 1 . MET 192 192 27020 1 . GLN 193 193 27020 1 . TRP 194 194 27020 1 . HIS 195 195 27020 1 . GLN 196 196 27020 1 . ARG 197 197 27020 1 . GLY 198 198 27020 1 . ALA 199 199 27020 1 . PHE 200 200 27020 1 . HIS 201 201 27020 1 . PRO 202 202 27020 1 . SER 203 203 27020 1 . ASN 204 204 27020 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27020 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $human_betaB2-crystallin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27020 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27020 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $human_betaB2-crystallin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21a . . . 27020 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27020 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human betaB2-crystallin' '[U-13C; U-15N; U-2H]' . . 1 $human_betaB2-crystallin . . 0.625 0.35 0.9 mM . . . . 27020 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 27020 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27020 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27020 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27020 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.025 . M 27020 1 pH 6.5 . pH 27020 1 pressure 1 . atm 27020 1 temperature 308 . K 27020 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27020 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27020 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27020 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27020 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27020 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27020 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27020 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27020 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27020 3 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27020 _Software.ID 4 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27020 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27020 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27020 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27020 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27020 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27020 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27020 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27020 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27020 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27020 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27020 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 27020 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27020 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27020 1 2 '3D HNCA' . . . 27020 1 3 '3D HNCACB' . . . 27020 1 4 '3D CBCA(CO)NH' . . . 27020 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 GLN CA C 13 55.750 0.023 . 1 . . . . 5 GLN CA . 27020 1 2 . 1 1 5 5 GLN CB C 13 28.642 0.000 . 1 . . . . 5 GLN CB . 27020 1 3 . 1 1 6 6 THR H H 1 8.121 0.001 . 1 . . . . 6 THR H . 27020 1 4 . 1 1 6 6 THR CA C 13 61.824 0.041 . 1 . . . . 6 THR CA . 27020 1 5 . 1 1 6 6 THR CB C 13 69.216 0.000 . 1 . . . . 6 THR CB . 27020 1 6 . 1 1 6 6 THR N N 15 116.082 0.127 . 1 . . . . 6 THR N . 27020 1 7 . 1 1 7 7 GLN H H 1 8.288 0.002 . 1 . . . . 7 GLN H . 27020 1 8 . 1 1 7 7 GLN CA C 13 55.427 0.025 . 1 . . . . 7 GLN CA . 27020 1 9 . 1 1 7 7 GLN CB C 13 28.497 0.003 . 1 . . . . 7 GLN CB . 27020 1 10 . 1 1 7 7 GLN N N 15 123.096 0.113 . 1 . . . . 7 GLN N . 27020 1 11 . 1 1 8 8 ALA H H 1 8.187 0.001 . 1 . . . . 8 ALA H . 27020 1 12 . 1 1 8 8 ALA CA C 13 52.233 0.018 . 1 . . . . 8 ALA CA . 27020 1 13 . 1 1 8 8 ALA CB C 13 18.386 0.008 . 1 . . . . 8 ALA CB . 27020 1 14 . 1 1 8 8 ALA N N 15 125.668 0.126 . 1 . . . . 8 ALA N . 27020 1 15 . 1 1 9 9 GLY H H 1 8.201 0.001 . 1 . . . . 9 GLY H . 27020 1 16 . 1 1 9 9 GLY CA C 13 44.647 0.006 . 1 . . . . 9 GLY CA . 27020 1 17 . 1 1 9 9 GLY N N 15 108.557 0.113 . 1 . . . . 9 GLY N . 27020 1 18 . 1 1 10 10 LYS H H 1 7.947 0.001 . 1 . . . . 10 LYS H . 27020 1 19 . 1 1 10 10 LYS CA C 13 53.656 0.007 . 1 . . . . 10 LYS CA . 27020 1 20 . 1 1 10 10 LYS CB C 13 31.527 0.000 . 1 . . . . 10 LYS CB . 27020 1 21 . 1 1 10 10 LYS N N 15 122.303 0.114 . 1 . . . . 10 LYS N . 27020 1 22 . 1 1 11 11 PRO CA C 13 62.782 0.021 . 1 . . . . 11 PRO CA . 27020 1 23 . 1 1 11 11 PRO CB C 13 31.059 0.000 . 1 . . . . 11 PRO CB . 27020 1 24 . 1 1 12 12 GLN H H 1 8.405 0.000 . 1 . . . . 12 GLN H . 27020 1 25 . 1 1 12 12 GLN CA C 13 55.445 0.035 . 1 . . . . 12 GLN CA . 27020 1 26 . 1 1 12 12 GLN CB C 13 29.020 0.000 . 1 . . . . 12 GLN CB . 27020 1 27 . 1 1 12 12 GLN N N 15 121.388 0.123 . 1 . . . . 12 GLN N . 27020 1 28 . 1 1 13 13 SER H H 1 8.244 0.004 . 1 . . . . 13 SER H . 27020 1 29 . 1 1 13 13 SER CA C 13 57.805 0.039 . 1 . . . . 13 SER CA . 27020 1 30 . 1 1 13 13 SER CB C 13 63.204 0.060 . 1 . . . . 13 SER CB . 27020 1 31 . 1 1 13 13 SER N N 15 117.315 0.121 . 1 . . . . 13 SER N . 27020 1 32 . 1 1 14 14 LEU H H 1 8.177 0.001 . 1 . . . . 14 LEU H . 27020 1 33 . 1 1 14 14 LEU CA C 13 54.431 0.037 . 1 . . . . 14 LEU CA . 27020 1 34 . 1 1 14 14 LEU CB C 13 41.515 0.006 . 1 . . . . 14 LEU CB . 27020 1 35 . 1 1 14 14 LEU N N 15 124.736 0.116 . 1 . . . . 14 LEU N . 27020 1 36 . 1 1 15 15 ASN H H 1 8.154 0.001 . 1 . . . . 15 ASN H . 27020 1 37 . 1 1 15 15 ASN CA C 13 51.077 0.004 . 1 . . . . 15 ASN CA . 27020 1 38 . 1 1 15 15 ASN CB C 13 38.071 0.000 . 1 . . . . 15 ASN CB . 27020 1 39 . 1 1 15 15 ASN N N 15 122.088 0.109 . 1 . . . . 15 ASN N . 27020 1 40 . 1 1 16 16 PRO CA C 13 62.771 0.057 . 1 . . . . 16 PRO CA . 27020 1 41 . 1 1 17 17 LYS H H 1 9.098 0.001 . 1 . . . . 17 LYS H . 27020 1 42 . 1 1 17 17 LYS CA C 13 57.262 0.042 . 1 . . . . 17 LYS CA . 27020 1 43 . 1 1 17 17 LYS CB C 13 34.781 0.000 . 1 . . . . 17 LYS CB . 27020 1 44 . 1 1 17 17 LYS N N 15 120.456 0.137 . 1 . . . . 17 LYS N . 27020 1 45 . 1 1 18 18 ILE H H 1 8.488 0.003 . 1 . . . . 18 ILE H . 27020 1 46 . 1 1 18 18 ILE CA C 13 58.524 0.050 . 1 . . . . 18 ILE CA . 27020 1 47 . 1 1 18 18 ILE CB C 13 40.485 0.001 . 1 . . . . 18 ILE CB . 27020 1 48 . 1 1 18 18 ILE N N 15 131.490 0.109 . 1 . . . . 18 ILE N . 27020 1 49 . 1 1 19 19 ILE H H 1 8.725 0.002 . 1 . . . . 19 ILE H . 27020 1 50 . 1 1 19 19 ILE CA C 13 59.683 0.034 . 1 . . . . 19 ILE CA . 27020 1 51 . 1 1 19 19 ILE CB C 13 38.966 0.000 . 1 . . . . 19 ILE CB . 27020 1 52 . 1 1 19 19 ILE N N 15 126.525 0.110 . 1 . . . . 19 ILE N . 27020 1 53 . 1 1 20 20 ILE H H 1 8.500 0.004 . 1 . . . . 20 ILE H . 27020 1 54 . 1 1 20 20 ILE CA C 13 59.245 0.070 . 1 . . . . 20 ILE CA . 27020 1 55 . 1 1 20 20 ILE CB C 13 38.669 0.000 . 1 . . . . 20 ILE CB . 27020 1 56 . 1 1 20 20 ILE N N 15 126.188 0.131 . 1 . . . . 20 ILE N . 27020 1 57 . 1 1 21 21 PHE H H 1 9.005 0.002 . 1 . . . . 21 PHE H . 27020 1 58 . 1 1 21 21 PHE CA C 13 56.296 0.015 . 1 . . . . 21 PHE CA . 27020 1 59 . 1 1 21 21 PHE CB C 13 39.222 0.000 . 1 . . . . 21 PHE CB . 27020 1 60 . 1 1 21 21 PHE N N 15 126.494 0.132 . 1 . . . . 21 PHE N . 27020 1 61 . 1 1 22 22 GLU H H 1 8.613 0.001 . 1 . . . . 22 GLU H . 27020 1 62 . 1 1 22 22 GLU CA C 13 58.010 0.044 . 1 . . . . 22 GLU CA . 27020 1 63 . 1 1 22 22 GLU CB C 13 30.710 0.025 . 1 . . . . 22 GLU CB . 27020 1 64 . 1 1 22 22 GLU N N 15 120.635 0.128 . 1 . . . . 22 GLU N . 27020 1 65 . 1 1 23 23 GLN H H 1 7.726 0.001 . 1 . . . . 23 GLN H . 27020 1 66 . 1 1 23 23 GLN CA C 13 52.636 0.042 . 1 . . . . 23 GLN CA . 27020 1 67 . 1 1 23 23 GLN CB C 13 31.140 0.016 . 1 . . . . 23 GLN CB . 27020 1 68 . 1 1 23 23 GLN N N 15 112.841 0.125 . 1 . . . . 23 GLN N . 27020 1 69 . 1 1 24 24 GLU H H 1 8.540 0.001 . 1 . . . . 24 GLU H . 27020 1 70 . 1 1 24 24 GLU CA C 13 55.906 0.018 . 1 . . . . 24 GLU CA . 27020 1 71 . 1 1 24 24 GLU CB C 13 29.357 0.000 . 1 . . . . 24 GLU CB . 27020 1 72 . 1 1 24 24 GLU N N 15 119.809 0.129 . 1 . . . . 24 GLU N . 27020 1 73 . 1 1 25 25 ASN H H 1 9.343 0.002 . 1 . . . . 25 ASN H . 27020 1 74 . 1 1 25 25 ASN CA C 13 53.938 0.064 . 1 . . . . 25 ASN CA . 27020 1 75 . 1 1 25 25 ASN CB C 13 36.285 0.023 . 1 . . . . 25 ASN CB . 27020 1 76 . 1 1 25 25 ASN N N 15 114.311 0.115 . 1 . . . . 25 ASN N . 27020 1 77 . 1 1 26 26 PHE H H 1 7.720 0.001 . 1 . . . . 26 PHE H . 27020 1 78 . 1 1 26 26 PHE CA C 13 56.016 0.035 . 1 . . . . 26 PHE CA . 27020 1 79 . 1 1 26 26 PHE CB C 13 33.909 0.010 . 1 . . . . 26 PHE CB . 27020 1 80 . 1 1 26 26 PHE N N 15 112.791 0.130 . 1 . . . . 26 PHE N . 27020 1 81 . 1 1 27 27 GLN H H 1 6.136 0.002 . 1 . . . . 27 GLN H . 27020 1 82 . 1 1 27 27 GLN CA C 13 53.172 0.006 . 1 . . . . 27 GLN CA . 27020 1 83 . 1 1 27 27 GLN CB C 13 31.104 0.001 . 1 . . . . 27 GLN CB . 27020 1 84 . 1 1 27 27 GLN N N 15 116.515 0.094 . 1 . . . . 27 GLN N . 27020 1 85 . 1 1 28 28 GLY H H 1 8.203 0.002 . 1 . . . . 28 GLY H . 27020 1 86 . 1 1 28 28 GLY CA C 13 43.759 0.029 . 1 . . . . 28 GLY CA . 27020 1 87 . 1 1 28 28 GLY N N 15 105.613 0.131 . 1 . . . . 28 GLY N . 27020 1 88 . 1 1 29 29 HIS H H 1 8.522 0.001 . 1 . . . . 29 HIS H . 27020 1 89 . 1 1 29 29 HIS CA C 13 56.431 0.015 . 1 . . . . 29 HIS CA . 27020 1 90 . 1 1 29 29 HIS CB C 13 29.018 0.005 . 1 . . . . 29 HIS CB . 27020 1 91 . 1 1 29 29 HIS N N 15 118.132 0.113 . 1 . . . . 29 HIS N . 27020 1 92 . 1 1 30 30 SER H H 1 7.917 0.001 . 1 . . . . 30 SER H . 27020 1 93 . 1 1 30 30 SER CA C 13 55.138 0.017 . 1 . . . . 30 SER CA . 27020 1 94 . 1 1 30 30 SER CB C 13 66.391 0.006 . 1 . . . . 30 SER CB . 27020 1 95 . 1 1 30 30 SER N N 15 116.200 0.111 . 1 . . . . 30 SER N . 27020 1 96 . 1 1 31 31 HIS H H 1 8.321 0.002 . 1 . . . . 31 HIS H . 27020 1 97 . 1 1 31 31 HIS CA C 13 54.834 0.015 . 1 . . . . 31 HIS CA . 27020 1 98 . 1 1 31 31 HIS CB C 13 31.955 0.007 . 1 . . . . 31 HIS CB . 27020 1 99 . 1 1 31 31 HIS N N 15 118.953 0.087 . 1 . . . . 31 HIS N . 27020 1 100 . 1 1 32 32 GLU H H 1 8.380 0.002 . 1 . . . . 32 GLU H . 27020 1 101 . 1 1 32 32 GLU CA C 13 54.452 0.087 . 1 . . . . 32 GLU CA . 27020 1 102 . 1 1 32 32 GLU CB C 13 30.450 0.042 . 1 . . . . 32 GLU CB . 27020 1 103 . 1 1 32 32 GLU N N 15 126.594 0.101 . 1 . . . . 32 GLU N . 27020 1 104 . 1 1 33 33 LEU H H 1 8.871 0.002 . 1 . . . . 33 LEU H . 27020 1 105 . 1 1 33 33 LEU CA C 13 53.749 0.034 . 1 . . . . 33 LEU CA . 27020 1 106 . 1 1 33 33 LEU CB C 13 42.922 0.009 . 1 . . . . 33 LEU CB . 27020 1 107 . 1 1 33 33 LEU N N 15 125.782 0.127 . 1 . . . . 33 LEU N . 27020 1 108 . 1 1 34 34 ASN H H 1 8.687 0.001 . 1 . . . . 34 ASN H . 27020 1 109 . 1 1 34 34 ASN CA C 13 51.845 0.038 . 1 . . . . 34 ASN CA . 27020 1 110 . 1 1 34 34 ASN CB C 13 40.676 0.025 . 1 . . . . 34 ASN CB . 27020 1 111 . 1 1 34 34 ASN N N 15 118.102 0.123 . 1 . . . . 34 ASN N . 27020 1 112 . 1 1 35 35 GLY H H 1 7.571 0.002 . 1 . . . . 35 GLY H . 27020 1 113 . 1 1 35 35 GLY CA C 13 44.203 0.026 . 1 . . . . 35 GLY CA . 27020 1 114 . 1 1 35 35 GLY N N 15 107.165 0.128 . 1 . . . . 35 GLY N . 27020 1 115 . 1 1 36 36 PRO CA C 13 63.003 0.008 . 1 . . . . 36 PRO CA . 27020 1 116 . 1 1 36 36 PRO CB C 13 31.943 0.000 . 1 . . . . 36 PRO CB . 27020 1 117 . 1 1 37 37 CYS H H 1 9.016 0.001 . 1 . . . . 37 CYS H . 27020 1 118 . 1 1 37 37 CYS CA C 13 55.432 0.025 . 1 . . . . 37 CYS CA . 27020 1 119 . 1 1 37 37 CYS CB C 13 28.882 0.000 . 1 . . . . 37 CYS CB . 27020 1 120 . 1 1 37 37 CYS N N 15 122.028 0.122 . 1 . . . . 37 CYS N . 27020 1 121 . 1 1 38 38 PRO CA C 13 63.956 0.027 . 1 . . . . 38 PRO CA . 27020 1 122 . 1 1 38 38 PRO CB C 13 31.549 0.000 . 1 . . . . 38 PRO CB . 27020 1 123 . 1 1 39 39 ASN H H 1 7.434 0.001 . 1 . . . . 39 ASN H . 27020 1 124 . 1 1 39 39 ASN CA C 13 52.578 0.027 . 1 . . . . 39 ASN CA . 27020 1 125 . 1 1 39 39 ASN CB C 13 37.767 0.018 . 1 . . . . 39 ASN CB . 27020 1 126 . 1 1 39 39 ASN N N 15 116.005 0.116 . 1 . . . . 39 ASN N . 27020 1 127 . 1 1 40 40 LEU H H 1 8.763 0.003 . 1 . . . . 40 LEU H . 27020 1 128 . 1 1 40 40 LEU CA C 13 57.708 0.032 . 1 . . . . 40 LEU CA . 27020 1 129 . 1 1 40 40 LEU CB C 13 40.617 0.014 . 1 . . . . 40 LEU CB . 27020 1 130 . 1 1 40 40 LEU N N 15 129.096 0.134 . 1 . . . . 40 LEU N . 27020 1 131 . 1 1 41 41 LYS H H 1 8.413 0.006 . 1 . . . . 41 LYS H . 27020 1 132 . 1 1 41 41 LYS CA C 13 58.968 0.028 . 1 . . . . 41 LYS CA . 27020 1 133 . 1 1 41 41 LYS CB C 13 30.821 0.000 . 1 . . . . 41 LYS CB . 27020 1 134 . 1 1 41 41 LYS N N 15 121.354 0.128 . 1 . . . . 41 LYS N . 27020 1 135 . 1 1 42 42 GLU H H 1 7.449 0.001 . 1 . . . . 42 GLU H . 27020 1 136 . 1 1 42 42 GLU CA C 13 57.579 0.029 . 1 . . . . 42 GLU CA . 27020 1 137 . 1 1 42 42 GLU CB C 13 28.733 0.023 . 1 . . . . 42 GLU CB . 27020 1 138 . 1 1 42 42 GLU N N 15 118.658 0.108 . 1 . . . . 42 GLU N . 27020 1 139 . 1 1 43 43 THR H H 1 7.342 0.002 . 1 . . . . 43 THR H . 27020 1 140 . 1 1 43 43 THR CA C 13 61.618 0.028 . 1 . . . . 43 THR CA . 27020 1 141 . 1 1 43 43 THR CB C 13 69.648 0.001 . 1 . . . . 43 THR CB . 27020 1 142 . 1 1 43 43 THR N N 15 111.152 0.107 . 1 . . . . 43 THR N . 27020 1 143 . 1 1 44 44 GLY H H 1 7.398 0.001 . 1 . . . . 44 GLY H . 27020 1 144 . 1 1 44 44 GLY CA C 13 44.363 0.007 . 1 . . . . 44 GLY CA . 27020 1 145 . 1 1 44 44 GLY N N 15 107.795 0.120 . 1 . . . . 44 GLY N . 27020 1 146 . 1 1 45 45 VAL H H 1 7.235 0.001 . 1 . . . . 45 VAL H . 27020 1 147 . 1 1 45 45 VAL CA C 13 60.850 0.026 . 1 . . . . 45 VAL CA . 27020 1 148 . 1 1 45 45 VAL CB C 13 29.929 0.006 . 1 . . . . 45 VAL CB . 27020 1 149 . 1 1 45 45 VAL N N 15 121.526 0.118 . 1 . . . . 45 VAL N . 27020 1 150 . 1 1 46 46 GLU H H 1 8.484 0.001 . 1 . . . . 46 GLU H . 27020 1 151 . 1 1 46 46 GLU CA C 13 57.673 0.016 . 1 . . . . 46 GLU CA . 27020 1 152 . 1 1 46 46 GLU CB C 13 29.753 0.090 . 1 . . . . 46 GLU CB . 27020 1 153 . 1 1 46 46 GLU N N 15 126.971 0.113 . 1 . . . . 46 GLU N . 27020 1 154 . 1 1 47 47 LYS H H 1 7.535 0.002 . 1 . . . . 47 LYS H . 27020 1 155 . 1 1 47 47 LYS CA C 13 54.655 0.011 . 1 . . . . 47 LYS CA . 27020 1 156 . 1 1 47 47 LYS CB C 13 34.237 0.004 . 1 . . . . 47 LYS CB . 27020 1 157 . 1 1 47 47 LYS N N 15 116.836 0.118 . 1 . . . . 47 LYS N . 27020 1 158 . 1 1 48 48 ALA H H 1 8.370 0.001 . 1 . . . . 48 ALA H . 27020 1 159 . 1 1 48 48 ALA CA C 13 50.010 0.042 . 1 . . . . 48 ALA CA . 27020 1 160 . 1 1 48 48 ALA CB C 13 18.485 0.000 . 1 . . . . 48 ALA CB . 27020 1 161 . 1 1 48 48 ALA N N 15 124.733 0.108 . 1 . . . . 48 ALA N . 27020 1 162 . 1 1 49 49 GLY H H 1 8.985 0.003 . 1 . . . . 49 GLY H . 27020 1 163 . 1 1 49 49 GLY CA C 13 45.380 0.054 . 1 . . . . 49 GLY CA . 27020 1 164 . 1 1 49 49 GLY N N 15 112.657 0.154 . 1 . . . . 49 GLY N . 27020 1 165 . 1 1 50 50 SER H H 1 8.006 0.004 . 1 . . . . 50 SER H . 27020 1 166 . 1 1 50 50 SER CA C 13 58.400 0.065 . 1 . . . . 50 SER CA . 27020 1 167 . 1 1 50 50 SER CB C 13 63.617 0.000 . 1 . . . . 50 SER CB . 27020 1 168 . 1 1 50 50 SER N N 15 108.784 0.115 . 1 . . . . 50 SER N . 27020 1 169 . 1 1 51 51 VAL H H 1 9.123 0.006 . 1 . . . . 51 VAL H . 27020 1 170 . 1 1 51 51 VAL CA C 13 61.010 0.039 . 1 . . . . 51 VAL CA . 27020 1 171 . 1 1 51 51 VAL CB C 13 36.035 0.000 . 1 . . . . 51 VAL CB . 27020 1 172 . 1 1 51 51 VAL N N 15 118.885 0.087 . 1 . . . . 51 VAL N . 27020 1 173 . 1 1 52 52 LEU H H 1 9.310 0.001 . 1 . . . . 52 LEU H . 27020 1 174 . 1 1 52 52 LEU CA C 13 53.251 0.044 . 1 . . . . 52 LEU CA . 27020 1 175 . 1 1 52 52 LEU CB C 13 44.881 0.000 . 1 . . . . 52 LEU CB . 27020 1 176 . 1 1 52 52 LEU N N 15 128.904 0.123 . 1 . . . . 52 LEU N . 27020 1 177 . 1 1 53 53 VAL H H 1 8.801 0.002 . 1 . . . . 53 VAL H . 27020 1 178 . 1 1 53 53 VAL CA C 13 61.427 0.040 . 1 . . . . 53 VAL CA . 27020 1 179 . 1 1 53 53 VAL CB C 13 30.873 0.000 . 1 . . . . 53 VAL CB . 27020 1 180 . 1 1 53 53 VAL N N 15 125.854 0.128 . 1 . . . . 53 VAL N . 27020 1 181 . 1 1 54 54 GLN H H 1 7.621 0.001 . 1 . . . . 54 GLN H . 27020 1 182 . 1 1 54 54 GLN CA C 13 57.067 0.070 . 1 . . . . 54 GLN CA . 27020 1 183 . 1 1 54 54 GLN CB C 13 28.815 0.000 . 1 . . . . 54 GLN CB . 27020 1 184 . 1 1 54 54 GLN N N 15 127.804 0.100 . 1 . . . . 54 GLN N . 27020 1 185 . 1 1 55 55 ALA H H 1 8.437 0.005 . 1 . . . . 55 ALA H . 27020 1 186 . 1 1 55 55 ALA CA C 13 52.940 0.013 . 1 . . . . 55 ALA CA . 27020 1 187 . 1 1 55 55 ALA CB C 13 20.014 0.000 . 1 . . . . 55 ALA CB . 27020 1 188 . 1 1 55 55 ALA N N 15 120.688 0.110 . 1 . . . . 55 ALA N . 27020 1 189 . 1 1 57 57 PRO CA C 13 63.881 0.000 . 1 . . . . 57 PRO CA . 27020 1 190 . 1 1 58 58 TRP H H 1 9.047 0.000 . 1 . . . . 58 TRP H . 27020 1 191 . 1 1 58 58 TRP CA C 13 56.206 0.062 . 1 . . . . 58 TRP CA . 27020 1 192 . 1 1 58 58 TRP CB C 13 32.336 0.000 . 1 . . . . 58 TRP CB . 27020 1 193 . 1 1 58 58 TRP N N 15 117.596 0.029 . 1 . . . . 58 TRP N . 27020 1 194 . 1 1 59 59 VAL H H 1 9.447 0.003 . 1 . . . . 59 VAL H . 27020 1 195 . 1 1 59 59 VAL CA C 13 58.856 0.013 . 1 . . . . 59 VAL CA . 27020 1 196 . 1 1 59 59 VAL CB C 13 34.041 0.000 . 1 . . . . 59 VAL CB . 27020 1 197 . 1 1 59 59 VAL N N 15 120.702 0.123 . 1 . . . . 59 VAL N . 27020 1 198 . 1 1 60 60 GLY H H 1 9.652 0.002 . 1 . . . . 60 GLY H . 27020 1 199 . 1 1 60 60 GLY CA C 13 43.424 0.058 . 1 . . . . 60 GLY CA . 27020 1 200 . 1 1 60 60 GLY N N 15 114.780 0.141 . 1 . . . . 60 GLY N . 27020 1 201 . 1 1 61 61 TYR H H 1 8.417 0.002 . 1 . . . . 61 TYR H . 27020 1 202 . 1 1 61 61 TYR CA C 13 55.726 0.059 . 1 . . . . 61 TYR CA . 27020 1 203 . 1 1 61 61 TYR CB C 13 40.207 0.000 . 1 . . . . 61 TYR CB . 27020 1 204 . 1 1 61 61 TYR N N 15 115.614 0.105 . 1 . . . . 61 TYR N . 27020 1 205 . 1 1 62 62 GLU H H 1 9.004 0.002 . 1 . . . . 62 GLU H . 27020 1 206 . 1 1 62 62 GLU CA C 13 57.560 0.042 . 1 . . . . 62 GLU CA . 27020 1 207 . 1 1 62 62 GLU CB C 13 32.215 0.037 . 1 . . . . 62 GLU CB . 27020 1 208 . 1 1 62 62 GLU N N 15 123.836 0.125 . 1 . . . . 62 GLU N . 27020 1 209 . 1 1 63 63 GLN H H 1 8.197 0.002 . 1 . . . . 63 GLN H . 27020 1 210 . 1 1 63 63 GLN CA C 13 53.066 0.018 . 1 . . . . 63 GLN CA . 27020 1 211 . 1 1 63 63 GLN CB C 13 30.477 0.012 . 1 . . . . 63 GLN CB . 27020 1 212 . 1 1 63 63 GLN N N 15 114.162 0.130 . 1 . . . . 63 GLN N . 27020 1 213 . 1 1 64 64 ALA H H 1 8.563 0.001 . 1 . . . . 64 ALA H . 27020 1 214 . 1 1 64 64 ALA CA C 13 51.915 0.026 . 1 . . . . 64 ALA CA . 27020 1 215 . 1 1 64 64 ALA CB C 13 17.886 0.007 . 1 . . . . 64 ALA CB . 27020 1 216 . 1 1 64 64 ALA N N 15 122.926 0.117 . 1 . . . . 64 ALA N . 27020 1 217 . 1 1 65 65 ASN H H 1 9.759 0.011 . 1 . . . . 65 ASN H . 27020 1 218 . 1 1 65 65 ASN CA C 13 54.078 0.055 . 1 . . . . 65 ASN CA . 27020 1 219 . 1 1 65 65 ASN CB C 13 36.081 0.013 . 1 . . . . 65 ASN CB . 27020 1 220 . 1 1 65 65 ASN N N 15 112.691 0.117 . 1 . . . . 65 ASN N . 27020 1 221 . 1 1 66 66 CYS H H 1 8.248 0.002 . 1 . . . . 66 CYS H . 27020 1 222 . 1 1 66 66 CYS CA C 13 57.377 0.017 . 1 . . . . 66 CYS CA . 27020 1 223 . 1 1 66 66 CYS CB C 13 23.815 0.001 . 1 . . . . 66 CYS CB . 27020 1 224 . 1 1 66 66 CYS N N 15 109.040 0.134 . 1 . . . . 66 CYS N . 27020 1 225 . 1 1 67 67 LYS H H 1 6.077 0.002 . 1 . . . . 67 LYS H . 27020 1 226 . 1 1 67 67 LYS CA C 13 53.466 0.014 . 1 . . . . 67 LYS CA . 27020 1 227 . 1 1 67 67 LYS CB C 13 34.687 0.011 . 1 . . . . 67 LYS CB . 27020 1 228 . 1 1 67 67 LYS N N 15 117.579 0.106 . 1 . . . . 67 LYS N . 27020 1 229 . 1 1 68 68 GLY H H 1 8.217 0.001 . 1 . . . . 68 GLY H . 27020 1 230 . 1 1 68 68 GLY CA C 13 43.865 0.011 . 1 . . . . 68 GLY CA . 27020 1 231 . 1 1 68 68 GLY N N 15 106.706 0.140 . 1 . . . . 68 GLY N . 27020 1 232 . 1 1 69 69 GLU H H 1 8.640 0.002 . 1 . . . . 69 GLU H . 27020 1 233 . 1 1 69 69 GLU CA C 13 57.996 0.037 . 1 . . . . 69 GLU CA . 27020 1 234 . 1 1 69 69 GLU CB C 13 29.310 0.000 . 1 . . . . 69 GLU CB . 27020 1 235 . 1 1 69 69 GLU N N 15 122.596 0.116 . 1 . . . . 69 GLU N . 27020 1 236 . 1 1 72 72 VAL CA C 13 62.568 0.000 . 1 . . . . 72 VAL CA . 27020 1 237 . 1 1 72 72 VAL CB C 13 30.817 0.000 . 1 . . . . 72 VAL CB . 27020 1 238 . 1 1 73 73 PHE H H 1 9.451 0.002 . 1 . . . . 73 PHE H . 27020 1 239 . 1 1 73 73 PHE CA C 13 56.594 0.029 . 1 . . . . 73 PHE CA . 27020 1 240 . 1 1 73 73 PHE CB C 13 40.722 0.000 . 1 . . . . 73 PHE CB . 27020 1 241 . 1 1 73 73 PHE N N 15 128.591 0.149 . 1 . . . . 73 PHE N . 27020 1 242 . 1 1 75 75 LYS CA C 13 58.600 0.000 . 1 . . . . 75 LYS CA . 27020 1 243 . 1 1 76 76 GLY H H 1 8.446 0.004 . 1 . . . . 76 GLY H . 27020 1 244 . 1 1 76 76 GLY CA C 13 43.796 0.000 . 1 . . . . 76 GLY CA . 27020 1 245 . 1 1 76 76 GLY N N 15 113.428 0.149 . 1 . . . . 76 GLY N . 27020 1 246 . 1 1 77 77 GLU H H 1 8.263 0.004 . 1 . . . . 77 GLU H . 27020 1 247 . 1 1 77 77 GLU CA C 13 55.696 0.000 . 1 . . . . 77 GLU CA . 27020 1 248 . 1 1 77 77 GLU N N 15 119.062 0.099 . 1 . . . . 77 GLU N . 27020 1 249 . 1 1 82 82 ASP H H 1 8.449 0.005 . 1 . . . . 82 ASP H . 27020 1 250 . 1 1 82 82 ASP CA C 13 53.380 0.000 . 1 . . . . 82 ASP CA . 27020 1 251 . 1 1 82 82 ASP CB C 13 41.423 0.000 . 1 . . . . 82 ASP CB . 27020 1 252 . 1 1 82 82 ASP N N 15 121.681 0.105 . 1 . . . . 82 ASP N . 27020 1 253 . 1 1 83 83 SER H H 1 7.800 0.006 . 1 . . . . 83 SER H . 27020 1 254 . 1 1 83 83 SER CA C 13 57.418 0.028 . 1 . . . . 83 SER CA . 27020 1 255 . 1 1 83 83 SER CB C 13 64.176 0.000 . 1 . . . . 83 SER CB . 27020 1 256 . 1 1 83 83 SER N N 15 114.689 0.128 . 1 . . . . 83 SER N . 27020 1 257 . 1 1 84 84 TRP H H 1 8.230 0.001 . 1 . . . . 84 TRP H . 27020 1 258 . 1 1 84 84 TRP CA C 13 56.317 0.000 . 1 . . . . 84 TRP CA . 27020 1 259 . 1 1 84 84 TRP N N 15 122.147 0.095 . 1 . . . . 84 TRP N . 27020 1 260 . 1 1 88 88 ARG CA C 13 53.398 0.000 . 1 . . . . 88 ARG CA . 27020 1 261 . 1 1 89 89 ARG H H 1 8.591 0.003 . 1 . . . . 89 ARG H . 27020 1 262 . 1 1 89 89 ARG CA C 13 54.928 0.000 . 1 . . . . 89 ARG CA . 27020 1 263 . 1 1 89 89 ARG CB C 13 30.403 0.000 . 1 . . . . 89 ARG CB . 27020 1 264 . 1 1 89 89 ARG N N 15 121.510 0.130 . 1 . . . . 89 ARG N . 27020 1 265 . 1 1 91 91 ASP CA C 13 53.034 0.002 . 1 . . . . 91 ASP CA . 27020 1 266 . 1 1 91 91 ASP CB C 13 39.359 0.000 . 1 . . . . 91 ASP CB . 27020 1 267 . 1 1 92 92 SER H H 1 7.881 0.001 . 1 . . . . 92 SER H . 27020 1 268 . 1 1 92 92 SER CA C 13 58.870 0.017 . 1 . . . . 92 SER CA . 27020 1 269 . 1 1 92 92 SER CB C 13 64.007 0.000 . 1 . . . . 92 SER CB . 27020 1 270 . 1 1 92 92 SER N N 15 115.297 0.140 . 1 . . . . 92 SER N . 27020 1 271 . 1 1 93 93 LEU H H 1 7.799 0.001 . 1 . . . . 93 LEU H . 27020 1 272 . 1 1 93 93 LEU CA C 13 54.788 0.052 . 1 . . . . 93 LEU CA . 27020 1 273 . 1 1 93 93 LEU CB C 13 42.853 0.000 . 1 . . . . 93 LEU CB . 27020 1 274 . 1 1 93 93 LEU N N 15 124.282 0.096 . 1 . . . . 93 LEU N . 27020 1 275 . 1 1 94 94 SER H H 1 8.816 0.003 . 1 . . . . 94 SER H . 27020 1 276 . 1 1 94 94 SER CA C 13 59.413 0.096 . 1 . . . . 94 SER CA . 27020 1 277 . 1 1 94 94 SER CB C 13 65.495 0.000 . 1 . . . . 94 SER CB . 27020 1 278 . 1 1 94 94 SER N N 15 117.683 0.142 . 1 . . . . 94 SER N . 27020 1 279 . 1 1 95 95 SER H H 1 7.952 0.002 . 1 . . . . 95 SER H . 27020 1 280 . 1 1 95 95 SER CA C 13 58.064 0.041 . 1 . . . . 95 SER CA . 27020 1 281 . 1 1 95 95 SER CB C 13 65.089 0.003 . 1 . . . . 95 SER CB . 27020 1 282 . 1 1 95 95 SER N N 15 112.526 0.116 . 1 . . . . 95 SER N . 27020 1 283 . 1 1 96 96 LEU H H 1 8.466 0.003 . 1 . . . . 96 LEU H . 27020 1 284 . 1 1 96 96 LEU CA C 13 54.619 0.020 . 1 . . . . 96 LEU CA . 27020 1 285 . 1 1 96 96 LEU CB C 13 49.069 0.052 . 1 . . . . 96 LEU CB . 27020 1 286 . 1 1 96 96 LEU N N 15 120.552 0.113 . 1 . . . . 96 LEU N . 27020 1 287 . 1 1 97 97 ARG H H 1 9.568 0.002 . 1 . . . . 97 ARG H . 27020 1 288 . 1 1 97 97 ARG CA C 13 54.462 0.002 . 1 . . . . 97 ARG CA . 27020 1 289 . 1 1 97 97 ARG CB C 13 30.128 0.000 . 1 . . . . 97 ARG CB . 27020 1 290 . 1 1 97 97 ARG N N 15 116.928 0.136 . 1 . . . . 97 ARG N . 27020 1 291 . 1 1 99 99 ILE H H 1 7.767 0.001 . 1 . . . . 99 ILE H . 27020 1 292 . 1 1 99 99 ILE N N 15 122.238 0.048 . 1 . . . . 99 ILE N . 27020 1 293 . 1 1 100 100 LYS H H 1 8.982 0.003 . 1 . . . . 100 LYS H . 27020 1 294 . 1 1 100 100 LYS N N 15 129.951 0.105 . 1 . . . . 100 LYS N . 27020 1 295 . 1 1 101 101 VAL H H 1 8.273 0.003 . 1 . . . . 101 VAL H . 27020 1 296 . 1 1 101 101 VAL N N 15 125.448 0.045 . 1 . . . . 101 VAL N . 27020 1 297 . 1 1 102 102 ASP H H 1 8.475 0.002 . 1 . . . . 102 ASP H . 27020 1 298 . 1 1 102 102 ASP N N 15 124.868 0.126 . 1 . . . . 102 ASP N . 27020 1 299 . 1 1 106 106 HIS H H 1 9.033 0.003 . 1 . . . . 106 HIS H . 27020 1 300 . 1 1 106 106 HIS CA C 13 55.673 0.049 . 1 . . . . 106 HIS CA . 27020 1 301 . 1 1 106 106 HIS CB C 13 32.130 0.000 . 1 . . . . 106 HIS CB . 27020 1 302 . 1 1 106 106 HIS N N 15 124.535 0.125 . 1 . . . . 106 HIS N . 27020 1 303 . 1 1 107 107 LYS H H 1 9.244 0.002 . 1 . . . . 107 LYS H . 27020 1 304 . 1 1 107 107 LYS CA C 13 56.278 0.071 . 1 . . . . 107 LYS CA . 27020 1 305 . 1 1 107 107 LYS CB C 13 34.971 0.024 . 1 . . . . 107 LYS CB . 27020 1 306 . 1 1 107 107 LYS N N 15 127.145 0.123 . 1 . . . . 107 LYS N . 27020 1 307 . 1 1 108 108 ILE H H 1 8.889 0.003 . 1 . . . . 108 ILE H . 27020 1 308 . 1 1 108 108 ILE CA C 13 58.723 0.026 . 1 . . . . 108 ILE CA . 27020 1 309 . 1 1 108 108 ILE CB C 13 40.888 0.062 . 1 . . . . 108 ILE CB . 27020 1 310 . 1 1 108 108 ILE N N 15 128.910 0.135 . 1 . . . . 108 ILE N . 27020 1 311 . 1 1 109 109 ILE H H 1 8.628 0.004 . 1 . . . . 109 ILE H . 27020 1 312 . 1 1 109 109 ILE CA C 13 60.194 0.032 . 1 . . . . 109 ILE CA . 27020 1 313 . 1 1 109 109 ILE CB C 13 39.318 0.006 . 1 . . . . 109 ILE CB . 27020 1 314 . 1 1 109 109 ILE N N 15 125.545 0.132 . 1 . . . . 109 ILE N . 27020 1 315 . 1 1 110 110 LEU H H 1 8.487 0.004 . 1 . . . . 110 LEU H . 27020 1 316 . 1 1 110 110 LEU CA C 13 54.242 0.048 . 1 . . . . 110 LEU CA . 27020 1 317 . 1 1 110 110 LEU CB C 13 40.950 0.022 . 1 . . . . 110 LEU CB . 27020 1 318 . 1 1 110 110 LEU N N 15 127.472 0.166 . 1 . . . . 110 LEU N . 27020 1 319 . 1 1 111 111 TYR H H 1 8.626 0.001 . 1 . . . . 111 TYR H . 27020 1 320 . 1 1 111 111 TYR CA C 13 56.630 0.026 . 1 . . . . 111 TYR CA . 27020 1 321 . 1 1 111 111 TYR CB C 13 39.902 0.004 . 1 . . . . 111 TYR CB . 27020 1 322 . 1 1 111 111 TYR N N 15 117.498 0.121 . 1 . . . . 111 TYR N . 27020 1 323 . 1 1 112 112 GLU H H 1 8.930 0.001 . 1 . . . . 112 GLU H . 27020 1 324 . 1 1 112 112 GLU CA C 13 57.275 0.071 . 1 . . . . 112 GLU CA . 27020 1 325 . 1 1 112 112 GLU CB C 13 31.764 0.048 . 1 . . . . 112 GLU CB . 27020 1 326 . 1 1 112 112 GLU N N 15 123.300 0.127 . 1 . . . . 112 GLU N . 27020 1 327 . 1 1 113 113 ASN H H 1 8.253 0.001 . 1 . . . . 113 ASN H . 27020 1 328 . 1 1 113 113 ASN CA C 13 50.191 0.018 . 1 . . . . 113 ASN CA . 27020 1 329 . 1 1 113 113 ASN CB C 13 38.256 0.000 . 1 . . . . 113 ASN CB . 27020 1 330 . 1 1 113 113 ASN N N 15 114.933 0.109 . 1 . . . . 113 ASN N . 27020 1 331 . 1 1 114 114 PRO CA C 13 62.429 0.036 . 1 . . . . 114 PRO CA . 27020 1 332 . 1 1 114 114 PRO CB C 13 31.402 0.000 . 1 . . . . 114 PRO CB . 27020 1 333 . 1 1 115 115 ASN H H 1 9.314 0.001 . 1 . . . . 115 ASN H . 27020 1 334 . 1 1 115 115 ASN CA C 13 53.887 0.038 . 1 . . . . 115 ASN CA . 27020 1 335 . 1 1 115 115 ASN CB C 13 36.480 0.015 . 1 . . . . 115 ASN CB . 27020 1 336 . 1 1 115 115 ASN N N 15 115.021 0.129 . 1 . . . . 115 ASN N . 27020 1 337 . 1 1 116 116 PHE H H 1 7.637 0.002 . 1 . . . . 116 PHE H . 27020 1 338 . 1 1 116 116 PHE CA C 13 55.385 0.036 . 1 . . . . 116 PHE CA . 27020 1 339 . 1 1 116 116 PHE CB C 13 34.057 0.003 . 1 . . . . 116 PHE CB . 27020 1 340 . 1 1 116 116 PHE N N 15 112.407 0.121 . 1 . . . . 116 PHE N . 27020 1 341 . 1 1 117 117 THR H H 1 6.348 0.002 . 1 . . . . 117 THR H . 27020 1 342 . 1 1 117 117 THR CA C 13 59.495 0.042 . 1 . . . . 117 THR CA . 27020 1 343 . 1 1 117 117 THR CB C 13 72.414 0.002 . 1 . . . . 117 THR CB . 27020 1 344 . 1 1 117 117 THR N N 15 107.913 0.124 . 1 . . . . 117 THR N . 27020 1 345 . 1 1 118 118 GLY H H 1 8.215 0.001 . 1 . . . . 118 GLY H . 27020 1 346 . 1 1 118 118 GLY CA C 13 43.729 0.013 . 1 . . . . 118 GLY CA . 27020 1 347 . 1 1 118 118 GLY N N 15 106.070 0.158 . 1 . . . . 118 GLY N . 27020 1 348 . 1 1 119 119 LYS H H 1 8.844 0.001 . 1 . . . . 119 LYS H . 27020 1 349 . 1 1 119 119 LYS CA C 13 57.824 0.009 . 1 . . . . 119 LYS CA . 27020 1 350 . 1 1 119 119 LYS CB C 13 32.486 0.001 . 1 . . . . 119 LYS CB . 27020 1 351 . 1 1 119 119 LYS N N 15 122.576 0.115 . 1 . . . . 119 LYS N . 27020 1 352 . 1 1 120 120 LYS H H 1 7.909 0.001 . 1 . . . . 120 LYS H . 27020 1 353 . 1 1 120 120 LYS CA C 13 53.204 0.005 . 1 . . . . 120 LYS CA . 27020 1 354 . 1 1 120 120 LYS CB C 13 35.691 0.051 . 1 . . . . 120 LYS CB . 27020 1 355 . 1 1 120 120 LYS N N 15 117.496 0.121 . 1 . . . . 120 LYS N . 27020 1 356 . 1 1 121 121 MET H H 1 8.551 0.002 . 1 . . . . 121 MET H . 27020 1 357 . 1 1 121 121 MET CA C 13 54.450 0.028 . 1 . . . . 121 MET CA . 27020 1 358 . 1 1 121 121 MET CB C 13 34.905 0.004 . 1 . . . . 121 MET CB . 27020 1 359 . 1 1 121 121 MET N N 15 122.464 0.139 . 1 . . . . 121 MET N . 27020 1 360 . 1 1 122 122 GLU H H 1 8.415 0.001 . 1 . . . . 122 GLU H . 27020 1 361 . 1 1 122 122 GLU CA C 13 54.094 0.078 . 1 . . . . 122 GLU CA . 27020 1 362 . 1 1 122 122 GLU CB C 13 31.195 0.018 . 1 . . . . 122 GLU CB . 27020 1 363 . 1 1 122 122 GLU N N 15 127.620 0.123 . 1 . . . . 122 GLU N . 27020 1 364 . 1 1 123 123 ILE H H 1 8.754 0.002 . 1 . . . . 123 ILE H . 27020 1 365 . 1 1 123 123 ILE CA C 13 60.147 0.039 . 1 . . . . 123 ILE CA . 27020 1 366 . 1 1 123 123 ILE CB C 13 38.358 0.013 . 1 . . . . 123 ILE CB . 27020 1 367 . 1 1 123 123 ILE N N 15 126.553 0.111 . 1 . . . . 123 ILE N . 27020 1 368 . 1 1 124 124 ILE H H 1 8.420 0.002 . 1 . . . . 124 ILE H . 27020 1 369 . 1 1 124 124 ILE CA C 13 59.174 0.024 . 1 . . . . 124 ILE CA . 27020 1 370 . 1 1 124 124 ILE CB C 13 39.783 0.010 . 1 . . . . 124 ILE CB . 27020 1 371 . 1 1 124 124 ILE N N 15 126.903 0.116 . 1 . . . . 124 ILE N . 27020 1 372 . 1 1 125 125 ASP H H 1 9.566 0.002 . 1 . . . . 125 ASP H . 27020 1 373 . 1 1 125 125 ASP CA C 13 56.513 0.034 . 1 . . . . 125 ASP CA . 27020 1 374 . 1 1 125 125 ASP CB C 13 39.486 0.088 . 1 . . . . 125 ASP CB . 27020 1 375 . 1 1 125 125 ASP N N 15 122.268 0.129 . 1 . . . . 125 ASP N . 27020 1 376 . 1 1 126 126 ASP H H 1 6.854 0.004 . 1 . . . . 126 ASP H . 27020 1 377 . 1 1 126 126 ASP CA C 13 52.263 0.041 . 1 . . . . 126 ASP CA . 27020 1 378 . 1 1 126 126 ASP CB C 13 43.089 0.000 . 1 . . . . 126 ASP CB . 27020 1 379 . 1 1 126 126 ASP N N 15 112.267 0.095 . 1 . . . . 126 ASP N . 27020 1 380 . 1 1 127 127 ASP H H 1 8.152 0.001 . 1 . . . . 127 ASP H . 27020 1 381 . 1 1 127 127 ASP CA C 13 53.071 0.015 . 1 . . . . 127 ASP CA . 27020 1 382 . 1 1 127 127 ASP CB C 13 43.026 0.000 . 1 . . . . 127 ASP CB . 27020 1 383 . 1 1 127 127 ASP N N 15 117.025 0.109 . 1 . . . . 127 ASP N . 27020 1 384 . 1 1 128 128 VAL H H 1 8.905 0.003 . 1 . . . . 128 VAL H . 27020 1 385 . 1 1 128 128 VAL CA C 13 59.088 0.005 . 1 . . . . 128 VAL CA . 27020 1 386 . 1 1 128 128 VAL CB C 13 33.868 0.000 . 1 . . . . 128 VAL CB . 27020 1 387 . 1 1 128 128 VAL N N 15 120.758 0.111 . 1 . . . . 128 VAL N . 27020 1 388 . 1 1 129 129 PRO CA C 13 62.922 0.001 . 1 . . . . 129 PRO CA . 27020 1 389 . 1 1 130 130 SER H H 1 7.508 0.008 . 1 . . . . 130 SER H . 27020 1 390 . 1 1 130 130 SER CA C 13 56.001 0.012 . 1 . . . . 130 SER CA . 27020 1 391 . 1 1 130 130 SER CB C 13 61.877 0.011 . 1 . . . . 130 SER CB . 27020 1 392 . 1 1 130 130 SER N N 15 112.550 0.128 . 1 . . . . 130 SER N . 27020 1 393 . 1 1 131 131 PHE H H 1 9.226 0.004 . 1 . . . . 131 PHE H . 27020 1 394 . 1 1 131 131 PHE CA C 13 59.724 0.052 . 1 . . . . 131 PHE CA . 27020 1 395 . 1 1 131 131 PHE CB C 13 35.307 0.057 . 1 . . . . 131 PHE CB . 27020 1 396 . 1 1 131 131 PHE N N 15 135.767 0.114 . 1 . . . . 131 PHE N . 27020 1 397 . 1 1 132 132 HIS H H 1 9.712 0.002 . 1 . . . . 132 HIS H . 27020 1 398 . 1 1 132 132 HIS CA C 13 59.734 0.044 . 1 . . . . 132 HIS CA . 27020 1 399 . 1 1 132 132 HIS CB C 13 31.566 0.053 . 1 . . . . 132 HIS CB . 27020 1 400 . 1 1 132 132 HIS N N 15 120.638 0.153 . 1 . . . . 132 HIS N . 27020 1 401 . 1 1 133 133 ALA H H 1 8.371 0.004 . 1 . . . . 133 ALA H . 27020 1 402 . 1 1 133 133 ALA CA C 13 54.174 0.086 . 1 . . . . 133 ALA CA . 27020 1 403 . 1 1 133 133 ALA CB C 13 17.389 0.014 . 1 . . . . 133 ALA CB . 27020 1 404 . 1 1 133 133 ALA N N 15 122.658 0.105 . 1 . . . . 133 ALA N . 27020 1 405 . 1 1 134 134 HIS H H 1 7.597 0.001 . 1 . . . . 134 HIS H . 27020 1 406 . 1 1 134 134 HIS CA C 13 55.113 0.072 . 1 . . . . 134 HIS CA . 27020 1 407 . 1 1 134 134 HIS CB C 13 30.459 0.026 . 1 . . . . 134 HIS CB . 27020 1 408 . 1 1 134 134 HIS N N 15 117.625 0.113 . 1 . . . . 134 HIS N . 27020 1 409 . 1 1 135 135 GLY H H 1 7.646 0.002 . 1 . . . . 135 GLY H . 27020 1 410 . 1 1 135 135 GLY CA C 13 45.159 0.010 . 1 . . . . 135 GLY CA . 27020 1 411 . 1 1 135 135 GLY N N 15 106.239 0.122 . 1 . . . . 135 GLY N . 27020 1 412 . 1 1 136 136 TYR H H 1 7.951 0.003 . 1 . . . . 136 TYR H . 27020 1 413 . 1 1 136 136 TYR CA C 13 57.474 0.022 . 1 . . . . 136 TYR CA . 27020 1 414 . 1 1 136 136 TYR CB C 13 39.326 0.037 . 1 . . . . 136 TYR CB . 27020 1 415 . 1 1 136 136 TYR N N 15 124.937 0.119 . 1 . . . . 136 TYR N . 27020 1 416 . 1 1 137 137 GLN H H 1 7.899 0.001 . 1 . . . . 137 GLN H . 27020 1 417 . 1 1 137 137 GLN CA C 13 54.198 0.038 . 1 . . . . 137 GLN CA . 27020 1 418 . 1 1 137 137 GLN CB C 13 27.772 0.000 . 1 . . . . 137 GLN CB . 27020 1 419 . 1 1 137 137 GLN N N 15 125.529 0.110 . 1 . . . . 137 GLN N . 27020 1 420 . 1 1 138 138 GLU H H 1 6.401 0.003 . 1 . . . . 138 GLU H . 27020 1 421 . 1 1 138 138 GLU CA C 13 55.419 0.039 . 1 . . . . 138 GLU CA . 27020 1 422 . 1 1 138 138 GLU CB C 13 29.797 0.030 . 1 . . . . 138 GLU CB . 27020 1 423 . 1 1 138 138 GLU N N 15 119.899 0.121 . 1 . . . . 138 GLU N . 27020 1 424 . 1 1 139 139 LYS H H 1 8.013 0.002 . 1 . . . . 139 LYS H . 27020 1 425 . 1 1 139 139 LYS CA C 13 56.603 0.018 . 1 . . . . 139 LYS CA . 27020 1 426 . 1 1 139 139 LYS CB C 13 32.505 0.008 . 1 . . . . 139 LYS CB . 27020 1 427 . 1 1 139 139 LYS N N 15 118.279 0.138 . 1 . . . . 139 LYS N . 27020 1 428 . 1 1 140 140 VAL H H 1 7.637 0.001 . 1 . . . . 140 VAL H . 27020 1 429 . 1 1 140 140 VAL CA C 13 62.294 0.057 . 1 . . . . 140 VAL CA . 27020 1 430 . 1 1 140 140 VAL CB C 13 32.878 0.084 . 1 . . . . 140 VAL CB . 27020 1 431 . 1 1 140 140 VAL N N 15 119.901 0.119 . 1 . . . . 140 VAL N . 27020 1 432 . 1 1 141 141 SER H H 1 8.390 0.003 . 1 . . . . 141 SER H . 27020 1 433 . 1 1 141 141 SER CA C 13 57.905 0.045 . 1 . . . . 141 SER CA . 27020 1 434 . 1 1 141 141 SER CB C 13 64.269 0.004 . 1 . . . . 141 SER CB . 27020 1 435 . 1 1 141 141 SER N N 15 117.147 0.177 . 1 . . . . 141 SER N . 27020 1 436 . 1 1 142 142 SER H H 1 7.918 0.001 . 1 . . . . 142 SER H . 27020 1 437 . 1 1 142 142 SER CA C 13 58.209 0.059 . 1 . . . . 142 SER CA . 27020 1 438 . 1 1 142 142 SER CB C 13 64.475 0.035 . 1 . . . . 142 SER CB . 27020 1 439 . 1 1 142 142 SER N N 15 108.132 0.132 . 1 . . . . 142 SER N . 27020 1 440 . 1 1 143 143 VAL H H 1 9.017 0.002 . 1 . . . . 143 VAL H . 27020 1 441 . 1 1 143 143 VAL CA C 13 60.778 0.042 . 1 . . . . 143 VAL CA . 27020 1 442 . 1 1 143 143 VAL CB C 13 37.522 0.044 . 1 . . . . 143 VAL CB . 27020 1 443 . 1 1 143 143 VAL N N 15 118.110 0.123 . 1 . . . . 143 VAL N . 27020 1 444 . 1 1 144 144 ARG H H 1 9.657 0.002 . 1 . . . . 144 ARG H . 27020 1 445 . 1 1 144 144 ARG CA C 13 55.445 0.028 . 1 . . . . 144 ARG CA . 27020 1 446 . 1 1 144 144 ARG CB C 13 31.632 0.000 . 1 . . . . 144 ARG CB . 27020 1 447 . 1 1 144 144 ARG N N 15 127.378 0.118 . 1 . . . . 144 ARG N . 27020 1 448 . 1 1 145 145 VAL H H 1 9.285 0.001 . 1 . . . . 145 VAL H . 27020 1 449 . 1 1 145 145 VAL CA C 13 61.931 0.032 . 1 . . . . 145 VAL CA . 27020 1 450 . 1 1 145 145 VAL CB C 13 29.827 0.029 . 1 . . . . 145 VAL CB . 27020 1 451 . 1 1 145 145 VAL N N 15 127.394 0.103 . 1 . . . . 145 VAL N . 27020 1 452 . 1 1 146 146 GLN H H 1 7.887 0.002 . 1 . . . . 146 GLN H . 27020 1 453 . 1 1 146 146 GLN CA C 13 57.667 0.025 . 1 . . . . 146 GLN CA . 27020 1 454 . 1 1 146 146 GLN CB C 13 28.733 0.004 . 1 . . . . 146 GLN CB . 27020 1 455 . 1 1 146 146 GLN N N 15 128.671 0.110 . 1 . . . . 146 GLN N . 27020 1 456 . 1 1 147 147 SER H H 1 8.341 0.001 . 1 . . . . 147 SER H . 27020 1 457 . 1 1 147 147 SER CA C 13 58.232 0.088 . 1 . . . . 147 SER CA . 27020 1 458 . 1 1 147 147 SER CB C 13 64.183 0.033 . 1 . . . . 147 SER CB . 27020 1 459 . 1 1 147 147 SER N N 15 110.884 0.129 . 1 . . . . 147 SER N . 27020 1 460 . 1 1 148 148 GLY H H 1 9.037 0.002 . 1 . . . . 148 GLY H . 27020 1 461 . 1 1 148 148 GLY CA C 13 43.636 0.019 . 1 . . . . 148 GLY CA . 27020 1 462 . 1 1 148 148 GLY N N 15 115.497 0.116 . 1 . . . . 148 GLY N . 27020 1 463 . 1 1 149 149 THR H H 1 6.972 0.002 . 1 . . . . 149 THR H . 27020 1 464 . 1 1 149 149 THR CA C 13 62.686 0.054 . 1 . . . . 149 THR CA . 27020 1 465 . 1 1 149 149 THR CB C 13 69.606 0.000 . 1 . . . . 149 THR CB . 27020 1 466 . 1 1 149 149 THR N N 15 113.522 0.148 . 1 . . . . 149 THR N . 27020 1 467 . 1 1 150 150 TRP H H 1 8.930 0.004 . 1 . . . . 150 TRP H . 27020 1 468 . 1 1 150 150 TRP CA C 13 55.084 0.019 . 1 . . . . 150 TRP CA . 27020 1 469 . 1 1 150 150 TRP CB C 13 32.276 0.032 . 1 . . . . 150 TRP CB . 27020 1 470 . 1 1 150 150 TRP N N 15 128.417 0.120 . 1 . . . . 150 TRP N . 27020 1 471 . 1 1 151 151 VAL H H 1 9.360 0.002 . 1 . . . . 151 VAL H . 27020 1 472 . 1 1 151 151 VAL CA C 13 60.564 0.037 . 1 . . . . 151 VAL CA . 27020 1 473 . 1 1 151 151 VAL CB C 13 33.585 0.000 . 1 . . . . 151 VAL CB . 27020 1 474 . 1 1 151 151 VAL N N 15 119.441 0.125 . 1 . . . . 151 VAL N . 27020 1 475 . 1 1 152 152 GLY H H 1 9.236 0.008 . 1 . . . . 152 GLY H . 27020 1 476 . 1 1 152 152 GLY CA C 13 43.112 0.011 . 1 . . . . 152 GLY CA . 27020 1 477 . 1 1 152 152 GLY N N 15 113.572 0.105 . 1 . . . . 152 GLY N . 27020 1 478 . 1 1 153 153 TYR H H 1 8.516 0.003 . 1 . . . . 153 TYR H . 27020 1 479 . 1 1 153 153 TYR CA C 13 55.624 0.020 . 1 . . . . 153 TYR CA . 27020 1 480 . 1 1 153 153 TYR CB C 13 39.585 0.000 . 1 . . . . 153 TYR CB . 27020 1 481 . 1 1 153 153 TYR N N 15 116.070 0.135 . 1 . . . . 153 TYR N . 27020 1 482 . 1 1 154 154 GLN H H 1 8.161 0.007 . 1 . . . . 154 GLN H . 27020 1 483 . 1 1 154 154 GLN CA C 13 53.475 0.000 . 1 . . . . 154 GLN CA . 27020 1 484 . 1 1 154 154 GLN N N 15 120.301 0.084 . 1 . . . . 154 GLN N . 27020 1 485 . 1 1 155 155 TYR H H 1 7.953 0.001 . 1 . . . . 155 TYR H . 27020 1 486 . 1 1 155 155 TYR N N 15 112.942 0.080 . 1 . . . . 155 TYR N . 27020 1 487 . 1 1 156 156 PRO CA C 13 61.729 0.022 . 1 . . . . 156 PRO CA . 27020 1 488 . 1 1 156 156 PRO CB C 13 30.843 0.000 . 1 . . . . 156 PRO CB . 27020 1 489 . 1 1 157 157 GLY H H 1 9.608 0.007 . 1 . . . . 157 GLY H . 27020 1 490 . 1 1 157 157 GLY CA C 13 45.501 0.016 . 1 . . . . 157 GLY CA . 27020 1 491 . 1 1 157 157 GLY N N 15 106.555 0.122 . 1 . . . . 157 GLY N . 27020 1 492 . 1 1 158 158 TYR H H 1 7.451 0.003 . 1 . . . . 158 TYR H . 27020 1 493 . 1 1 158 158 TYR CA C 13 54.833 0.000 . 1 . . . . 158 TYR CA . 27020 1 494 . 1 1 158 158 TYR N N 15 112.887 0.072 . 1 . . . . 158 TYR N . 27020 1 495 . 1 1 159 159 ARG H H 1 6.159 0.002 . 1 . . . . 159 ARG H . 27020 1 496 . 1 1 159 159 ARG CA C 13 54.240 0.021 . 1 . . . . 159 ARG CA . 27020 1 497 . 1 1 159 159 ARG CB C 13 33.629 0.000 . 1 . . . . 159 ARG CB . 27020 1 498 . 1 1 159 159 ARG N N 15 117.658 0.111 . 1 . . . . 159 ARG N . 27020 1 499 . 1 1 160 160 GLY H H 1 8.365 0.003 . 1 . . . . 160 GLY H . 27020 1 500 . 1 1 160 160 GLY CA C 13 44.162 0.023 . 1 . . . . 160 GLY CA . 27020 1 501 . 1 1 160 160 GLY N N 15 106.845 0.135 . 1 . . . . 160 GLY N . 27020 1 502 . 1 1 161 161 LEU H H 1 8.045 0.005 . 1 . . . . 161 LEU H . 27020 1 503 . 1 1 161 161 LEU CA C 13 56.193 0.036 . 1 . . . . 161 LEU CA . 27020 1 504 . 1 1 161 161 LEU CB C 13 41.327 0.000 . 1 . . . . 161 LEU CB . 27020 1 505 . 1 1 161 161 LEU N N 15 121.327 0.111 . 1 . . . . 161 LEU N . 27020 1 506 . 1 1 162 162 GLN H H 1 7.543 0.005 . 1 . . . . 162 GLN H . 27020 1 507 . 1 1 162 162 GLN CA C 13 52.281 0.062 . 1 . . . . 162 GLN CA . 27020 1 508 . 1 1 162 162 GLN CB C 13 31.075 0.000 . 1 . . . . 162 GLN CB . 27020 1 509 . 1 1 162 162 GLN N N 15 116.181 0.142 . 1 . . . . 162 GLN N . 27020 1 510 . 1 1 163 163 TYR H H 1 8.485 0.004 . 1 . . . . 163 TYR H . 27020 1 511 . 1 1 163 163 TYR CA C 13 53.189 0.072 . 1 . . . . 163 TYR CA . 27020 1 512 . 1 1 163 163 TYR CB C 13 39.502 0.066 . 1 . . . . 163 TYR CB . 27020 1 513 . 1 1 163 163 TYR N N 15 118.974 0.131 . 1 . . . . 163 TYR N . 27020 1 514 . 1 1 164 164 LEU H H 1 8.723 0.004 . 1 . . . . 164 LEU H . 27020 1 515 . 1 1 164 164 LEU CA C 13 55.684 0.027 . 1 . . . . 164 LEU CA . 27020 1 516 . 1 1 164 164 LEU CB C 13 40.780 0.002 . 1 . . . . 164 LEU CB . 27020 1 517 . 1 1 164 164 LEU N N 15 127.394 0.121 . 1 . . . . 164 LEU N . 27020 1 518 . 1 1 165 165 LEU H H 1 9.038 0.003 . 1 . . . . 165 LEU H . 27020 1 519 . 1 1 165 165 LEU CA C 13 52.935 0.043 . 1 . . . . 165 LEU CA . 27020 1 520 . 1 1 165 165 LEU CB C 13 41.713 0.050 . 1 . . . . 165 LEU CB . 27020 1 521 . 1 1 165 165 LEU N N 15 132.817 0.114 . 1 . . . . 165 LEU N . 27020 1 522 . 1 1 166 166 GLU H H 1 8.007 0.001 . 1 . . . . 166 GLU H . 27020 1 523 . 1 1 166 166 GLU CA C 13 55.096 0.020 . 1 . . . . 166 GLU CA . 27020 1 524 . 1 1 166 166 GLU CB C 13 31.968 0.000 . 1 . . . . 166 GLU CB . 27020 1 525 . 1 1 166 166 GLU N N 15 122.231 0.119 . 1 . . . . 166 GLU N . 27020 1 526 . 1 1 167 167 LYS H H 1 8.478 0.003 . 1 . . . . 167 LYS H . 27020 1 527 . 1 1 167 167 LYS CA C 13 58.437 0.042 . 1 . . . . 167 LYS CA . 27020 1 528 . 1 1 167 167 LYS CB C 13 31.727 0.054 . 1 . . . . 167 LYS CB . 27020 1 529 . 1 1 167 167 LYS N N 15 121.790 0.133 . 1 . . . . 167 LYS N . 27020 1 530 . 1 1 168 168 GLY H H 1 8.607 0.001 . 1 . . . . 168 GLY H . 27020 1 531 . 1 1 168 168 GLY CA C 13 43.791 0.033 . 1 . . . . 168 GLY CA . 27020 1 532 . 1 1 168 168 GLY N N 15 115.846 0.126 . 1 . . . . 168 GLY N . 27020 1 533 . 1 1 169 169 ASP H H 1 7.957 0.000 . 1 . . . . 169 ASP H . 27020 1 534 . 1 1 169 169 ASP CA C 13 53.129 0.017 . 1 . . . . 169 ASP CA . 27020 1 535 . 1 1 169 169 ASP CB C 13 42.518 0.004 . 1 . . . . 169 ASP CB . 27020 1 536 . 1 1 169 169 ASP N N 15 118.661 0.107 . 1 . . . . 169 ASP N . 27020 1 537 . 1 1 170 170 TYR H H 1 9.354 0.002 . 1 . . . . 170 TYR H . 27020 1 538 . 1 1 170 170 TYR CA C 13 56.152 0.007 . 1 . . . . 170 TYR CA . 27020 1 539 . 1 1 170 170 TYR CB C 13 38.070 0.011 . 1 . . . . 170 TYR CB . 27020 1 540 . 1 1 170 170 TYR N N 15 122.214 0.117 . 1 . . . . 170 TYR N . 27020 1 541 . 1 1 171 171 LYS H H 1 8.696 0.001 . 1 . . . . 171 LYS H . 27020 1 542 . 1 1 171 171 LYS CA C 13 58.991 0.021 . 1 . . . . 171 LYS CA . 27020 1 543 . 1 1 171 171 LYS CB C 13 31.507 0.035 . 1 . . . . 171 LYS CB . 27020 1 544 . 1 1 171 171 LYS N N 15 124.151 0.118 . 1 . . . . 171 LYS N . 27020 1 545 . 1 1 172 172 ASP H H 1 7.988 0.001 . 1 . . . . 172 ASP H . 27020 1 546 . 1 1 172 172 ASP CA C 13 53.043 0.012 . 1 . . . . 172 ASP CA . 27020 1 547 . 1 1 172 172 ASP CB C 13 45.147 0.018 . 1 . . . . 172 ASP CB . 27020 1 548 . 1 1 172 172 ASP N N 15 117.937 0.133 . 1 . . . . 172 ASP N . 27020 1 549 . 1 1 173 173 SER H H 1 7.683 0.005 . 1 . . . . 173 SER H . 27020 1 550 . 1 1 173 173 SER CA C 13 59.999 0.024 . 1 . . . . 173 SER CA . 27020 1 551 . 1 1 173 173 SER CB C 13 60.830 0.033 . 1 . . . . 173 SER CB . 27020 1 552 . 1 1 173 173 SER N N 15 119.620 0.120 . 1 . . . . 173 SER N . 27020 1 553 . 1 1 174 174 SER H H 1 8.118 0.001 . 1 . . . . 174 SER H . 27020 1 554 . 1 1 174 174 SER CA C 13 60.389 0.069 . 1 . . . . 174 SER CA . 27020 1 555 . 1 1 174 174 SER CB C 13 61.595 0.011 . 1 . . . . 174 SER CB . 27020 1 556 . 1 1 174 174 SER N N 15 118.374 0.105 . 1 . . . . 174 SER N . 27020 1 557 . 1 1 175 175 ASP H H 1 7.922 0.001 . 1 . . . . 175 ASP H . 27020 1 558 . 1 1 175 175 ASP CA C 13 56.885 0.022 . 1 . . . . 175 ASP CA . 27020 1 559 . 1 1 175 175 ASP CB C 13 40.837 0.000 . 1 . . . . 175 ASP CB . 27020 1 560 . 1 1 175 175 ASP N N 15 123.051 0.142 . 1 . . . . 175 ASP N . 27020 1 561 . 1 1 176 176 PHE H H 1 6.929 0.004 . 1 . . . . 176 PHE H . 27020 1 562 . 1 1 176 176 PHE CA C 13 55.002 0.039 . 1 . . . . 176 PHE CA . 27020 1 563 . 1 1 176 176 PHE CB C 13 36.768 0.051 . 1 . . . . 176 PHE CB . 27020 1 564 . 1 1 176 176 PHE N N 15 113.443 0.132 . 1 . . . . 176 PHE N . 27020 1 565 . 1 1 177 177 GLY H H 1 7.206 0.002 . 1 . . . . 177 GLY H . 27020 1 566 . 1 1 177 177 GLY CA C 13 44.986 0.015 . 1 . . . . 177 GLY CA . 27020 1 567 . 1 1 177 177 GLY N N 15 106.450 0.158 . 1 . . . . 177 GLY N . 27020 1 568 . 1 1 178 178 ALA H H 1 6.872 0.001 . 1 . . . . 178 ALA H . 27020 1 569 . 1 1 178 178 ALA CA C 13 48.901 0.014 . 1 . . . . 178 ALA CA . 27020 1 570 . 1 1 178 178 ALA CB C 13 18.377 0.000 . 1 . . . . 178 ALA CB . 27020 1 571 . 1 1 178 178 ALA N N 15 124.767 0.118 . 1 . . . . 178 ALA N . 27020 1 572 . 1 1 179 179 PRO CA C 13 63.076 0.042 . 1 . . . . 179 PRO CA . 27020 1 573 . 1 1 180 180 HIS H H 1 6.858 0.001 . 1 . . . . 180 HIS H . 27020 1 574 . 1 1 180 180 HIS CA C 13 52.694 0.046 . 1 . . . . 180 HIS CA . 27020 1 575 . 1 1 180 180 HIS N N 15 114.035 0.126 . 1 . . . . 180 HIS N . 27020 1 576 . 1 1 181 181 PRO CA C 13 63.282 0.005 . 1 . . . . 181 PRO CA . 27020 1 577 . 1 1 181 181 PRO CB C 13 29.067 0.000 . 1 . . . . 181 PRO CB . 27020 1 578 . 1 1 182 182 GLN H H 1 8.145 0.002 . 1 . . . . 182 GLN H . 27020 1 579 . 1 1 182 182 GLN CA C 13 54.949 0.056 . 1 . . . . 182 GLN CA . 27020 1 580 . 1 1 182 182 GLN CB C 13 30.545 0.000 . 1 . . . . 182 GLN CB . 27020 1 581 . 1 1 182 182 GLN N N 15 125.946 0.125 . 1 . . . . 182 GLN N . 27020 1 582 . 1 1 183 183 VAL H H 1 7.742 0.004 . 1 . . . . 183 VAL H . 27020 1 583 . 1 1 183 183 VAL CA C 13 61.335 0.016 . 1 . . . . 183 VAL CA . 27020 1 584 . 1 1 183 183 VAL CB C 13 35.110 0.000 . 1 . . . . 183 VAL CB . 27020 1 585 . 1 1 183 183 VAL N N 15 126.954 0.173 . 1 . . . . 183 VAL N . 27020 1 586 . 1 1 185 185 SER CA C 13 58.831 0.000 . 1 . . . . 185 SER CA . 27020 1 587 . 1 1 186 186 VAL H H 1 9.061 0.001 . 1 . . . . 186 VAL H . 27020 1 588 . 1 1 186 186 VAL CA C 13 59.838 0.011 . 1 . . . . 186 VAL CA . 27020 1 589 . 1 1 186 186 VAL CB C 13 34.926 0.000 . 1 . . . . 186 VAL CB . 27020 1 590 . 1 1 186 186 VAL N N 15 117.423 0.103 . 1 . . . . 186 VAL N . 27020 1 591 . 1 1 187 187 ARG H H 1 9.424 0.012 . 1 . . . . 187 ARG H . 27020 1 592 . 1 1 187 187 ARG CA C 13 53.185 0.035 . 1 . . . . 187 ARG CA . 27020 1 593 . 1 1 187 187 ARG CB C 13 32.074 0.078 . 1 . . . . 187 ARG CB . 27020 1 594 . 1 1 187 187 ARG N N 15 121.380 0.202 . 1 . . . . 187 ARG N . 27020 1 595 . 1 1 188 188 ARG H H 1 8.715 0.003 . 1 . . . . 188 ARG H . 27020 1 596 . 1 1 188 188 ARG CA C 13 54.915 0.012 . 1 . . . . 188 ARG CA . 27020 1 597 . 1 1 188 188 ARG CB C 13 30.279 0.012 . 1 . . . . 188 ARG CB . 27020 1 598 . 1 1 188 188 ARG N N 15 121.748 0.117 . 1 . . . . 188 ARG N . 27020 1 599 . 1 1 189 189 ILE H H 1 8.391 0.009 . 1 . . . . 189 ILE H . 27020 1 600 . 1 1 189 189 ILE CA C 13 60.147 0.017 . 1 . . . . 189 ILE CA . 27020 1 601 . 1 1 189 189 ILE CB C 13 35.246 0.000 . 1 . . . . 189 ILE CB . 27020 1 602 . 1 1 189 189 ILE N N 15 123.801 0.217 . 1 . . . . 189 ILE N . 27020 1 603 . 1 1 191 191 ASP CA C 13 53.167 0.000 . 1 . . . . 191 ASP CA . 27020 1 604 . 1 1 191 191 ASP CB C 13 42.564 0.000 . 1 . . . . 191 ASP CB . 27020 1 605 . 1 1 192 192 MET H H 1 8.465 0.001 . 1 . . . . 192 MET H . 27020 1 606 . 1 1 192 192 MET CA C 13 55.248 0.031 . 1 . . . . 192 MET CA . 27020 1 607 . 1 1 192 192 MET CB C 13 33.140 0.021 . 1 . . . . 192 MET CB . 27020 1 608 . 1 1 192 192 MET N N 15 121.483 0.127 . 1 . . . . 192 MET N . 27020 1 609 . 1 1 193 193 GLN H H 1 8.325 0.001 . 1 . . . . 193 GLN H . 27020 1 610 . 1 1 193 193 GLN CA C 13 56.039 0.019 . 1 . . . . 193 GLN CA . 27020 1 611 . 1 1 193 193 GLN CB C 13 28.185 0.000 . 1 . . . . 193 GLN CB . 27020 1 612 . 1 1 193 193 GLN N N 15 119.774 0.105 . 1 . . . . 193 GLN N . 27020 1 613 . 1 1 194 194 TRP H H 1 7.908 0.002 . 1 . . . . 194 TRP H . 27020 1 614 . 1 1 194 194 TRP CA C 13 57.413 0.006 . 1 . . . . 194 TRP CA . 27020 1 615 . 1 1 194 194 TRP CB C 13 28.769 0.000 . 1 . . . . 194 TRP CB . 27020 1 616 . 1 1 194 194 TRP N N 15 121.838 0.095 . 1 . . . . 194 TRP N . 27020 1 617 . 1 1 196 196 GLN CB C 13 28.475 0.000 . 1 . . . . 196 GLN CB . 27020 1 618 . 1 1 197 197 ARG H H 1 8.238 0.003 . 1 . . . . 197 ARG H . 27020 1 619 . 1 1 197 197 ARG CA C 13 56.139 0.077 . 1 . . . . 197 ARG CA . 27020 1 620 . 1 1 197 197 ARG CB C 13 29.789 0.001 . 1 . . . . 197 ARG CB . 27020 1 621 . 1 1 197 197 ARG N N 15 122.520 0.140 . 1 . . . . 197 ARG N . 27020 1 622 . 1 1 198 198 GLY H H 1 8.319 0.001 . 1 . . . . 198 GLY H . 27020 1 623 . 1 1 198 198 GLY CA C 13 44.761 0.036 . 1 . . . . 198 GLY CA . 27020 1 624 . 1 1 198 198 GLY N N 15 110.672 0.120 . 1 . . . . 198 GLY N . 27020 1 625 . 1 1 199 199 ALA H H 1 7.974 0.003 . 1 . . . . 199 ALA H . 27020 1 626 . 1 1 199 199 ALA CA C 13 51.832 0.008 . 1 . . . . 199 ALA CA . 27020 1 627 . 1 1 199 199 ALA CB C 13 18.530 0.003 . 1 . . . . 199 ALA CB . 27020 1 628 . 1 1 199 199 ALA N N 15 123.935 0.092 . 1 . . . . 199 ALA N . 27020 1 629 . 1 1 200 200 PHE H H 1 8.061 0.000 . 1 . . . . 200 PHE H . 27020 1 630 . 1 1 200 200 PHE CA C 13 57.143 0.015 . 1 . . . . 200 PHE CA . 27020 1 631 . 1 1 200 200 PHE CB C 13 38.878 0.014 . 1 . . . . 200 PHE CB . 27020 1 632 . 1 1 200 200 PHE N N 15 120.052 0.114 . 1 . . . . 200 PHE N . 27020 1 633 . 1 1 201 201 HIS H H 1 8.068 0.001 . 1 . . . . 201 HIS H . 27020 1 634 . 1 1 201 201 HIS CA C 13 52.963 0.019 . 1 . . . . 201 HIS CA . 27020 1 635 . 1 1 201 201 HIS CB C 13 29.337 0.000 . 1 . . . . 201 HIS CB . 27020 1 636 . 1 1 201 201 HIS N N 15 123.530 0.133 . 1 . . . . 201 HIS N . 27020 1 637 . 1 1 202 202 PRO CA C 13 62.736 0.002 . 1 . . . . 202 PRO CA . 27020 1 638 . 1 1 202 202 PRO CB C 13 31.305 0.006 . 1 . . . . 202 PRO CB . 27020 1 639 . 1 1 203 203 SER H H 1 8.395 0.002 . 1 . . . . 203 SER H . 27020 1 640 . 1 1 203 203 SER CA C 13 57.953 0.044 . 1 . . . . 203 SER CA . 27020 1 641 . 1 1 203 203 SER CB C 13 63.411 0.019 . 1 . . . . 203 SER CB . 27020 1 642 . 1 1 203 203 SER N N 15 117.073 0.102 . 1 . . . . 203 SER N . 27020 1 643 . 1 1 204 204 ASN H H 1 7.937 0.017 . 1 . . . . 204 ASN H . 27020 1 644 . 1 1 204 204 ASN CA C 13 54.534 0.001 . 1 . . . . 204 ASN CA . 27020 1 645 . 1 1 204 204 ASN CB C 13 39.745 0.000 . 1 . . . . 204 ASN CB . 27020 1 646 . 1 1 204 204 ASN N N 15 126.150 0.266 . 1 . . . . 204 ASN N . 27020 1 stop_ save_